Molecule

ID:61405

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃
Molecular Mass
121.13988
Exact Mass
121.06399724
Charge
0
InChI
InChI=1S/C6H7N3/c1-9-5-6(2-3-7)4-8-9/h4-5H,2H2,1H3
InChIKey
OZAQPNNARZFABP-UHFFFAOYSA-N
Canonic Smiles
N#CCc1cnn(c1)C
Isomeric Smiles
n1(ncc(c1)CC#N)C
Calculated Properties
JChem
Acid pKa
12.842131
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.09672113
LogD (pH = 7.4)
0.096800424
Log P
0.09680303
Molar Refractivity
45.2483
Polarizability
12.427908
Polar Surface Area
41.61
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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